2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C15H19Cl2F3N4O2S — CID 120811820

IUPAC2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2ccoc2)n1
InChIInChI=1S/C15H17F3N4O2S.2ClH/c16-15(17,18)12(22-4-2-19-3-5-22)7-20-13(23)11-9-25-14(21-11)10-1-6-24-8-10;;/h1,6,8-9,12,19H,2-5,7H2,(H,20,23);2*1H
InChIKeyDHSOEZZFEFBWAZ-UHFFFAOYSA-N
MW447.31 g/mol
LogP2.81
Rot. Bonds5

About 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120811820) has the molecular formula C15H19Cl2F3N4O2S and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120811820
Molecular FormulaC15H19Cl2F3N4O2S
Molecular Weight447.31 g/mol
Exact Mass446.06
IUPAC Name2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2ccoc2)n1
InChIInChI=1S/C15H17F3N4O2S.2ClH/c16-15(17,18)12(22-4-2-19-3-5-22)7-20-13(23)11-9-25-14(21-11)10-1-6-24-8-10;;/h1,6,8-9,12,19H,2-5,7H2,(H,20,23);2*1H
InChIKeyDHSOEZZFEFBWAZ-UHFFFAOYSA-N
XLogP2.81
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811834
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 120811805
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048
5-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120811231
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 120813567
2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
CID 120810967
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120811820) is 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DHSOEZZFEFBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S.2ClH/c16-15(17,18)12(22-4-2-19-3-5-22)7-20-13(23)11-9-25-14(21-11)10-1-6-24-8-10;;/h1,6,8-9,12,19H,2-5,7H2,(H,20,23);2*1H.
What are the key properties of 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 447.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120811820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).